Magnesium in PDB 7zmu: 14-3-3S Binding to Non-Natural Peptide 2D

The structure of 14-3-3S Binding to Non-Natural Peptide 2D, PDB code: 7zmu was solved by B.A.Somsen, F.W.B.Craenmehr, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.278, 112.007, 62.68, 90, 90, 90
R / Rfree (%)	25.4 / 29.4

The binding sites of Magnesium atom in the 14-3-3S Binding to Non-Natural Peptide 2D (pdb code 7zmu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 14-3-3S Binding to Non-Natural Peptide 2D, PDB code: 7zmu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3S Binding to Non-Natural Peptide 2D


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3S Binding to Non-Natural Peptide 2D within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:10.8 occ:0.50 OE1 A:GLU2 2.5 16.2 1.0 O A:HOH402 2.7 13.1 1.0 O A:HOH624 2.8 27.9 1.0 CD A:GLU2 3.4 16.3 1.0 OE2 A:GLU2 3.6 20.5 1.0 HA A:GLU2 4.1 14.8 1.0 H A:ARG3 4.1 10.6 1.0 O A:HOH623 4.6 12.9 1.0 CG A:GLU2 4.7 12.2 1.0 CA A:GLU2 4.9 12.4 1.0 HB3 A:GLU2 4.9 11.4 1.0 N A:ARG3 5.0 8.9 1.0

Magnesium binding site 2 out of 2 in the 14-3-3S Binding to Non-Natural Peptide 2D


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3S Binding to Non-Natural Peptide 2D within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:24.4 occ:1.00 OE1 A:GLU86 2.3 19.5 0.5 OE2 A:GLU89 2.5 18.1 1.0 OE2 A:GLU86 2.5 12.4 0.5 CD A:GLU86 2.7 18.0 0.5 O A:HOH542 2.9 28.8 1.0 CD A:GLU89 3.5 8.3 1.0 HG2 A:GLU86 3.8 11.6 0.5 HH12 A:ARG85 3.8 23.9 1.0 HG2 A:GLU89 3.9 12.2 1.0 HB3 A:GLU89 4.1 11.5 1.0 O A:HOH452 4.2 27.5 1.0 CG A:GLU86 4.2 13.7 0.5 HH11 A:ARG85 4.2 23.9 1.0 CG A:GLU89 4.2 10.3 1.0 HE22 A:GLN93 4.2 18.2 1.0 OE1 A:GLU89 4.2 9.5 1.0 NH1 A:ARG85 4.4 20.0 1.0 HA A:GLU86 4.4 12.2 0.5 HA A:GLU86 4.4 12.2 0.5 HG3 A:GLU86 4.4 16.3 0.5 HG1 A:THR90 4.6 20.0 1.0 HG2 A:GLU86 4.6 16.3 0.5 HB3 A:GLU86 4.6 12.7 0.5 OE1 A:GLN93 4.6 19.6 1.0 CG A:GLU86 4.7 9.8 0.5 CB A:GLU89 4.7 9.7 1.0 OG1 A:THR90 4.8 16.8 1.0 NE2 A:GLN93 4.9 15.3 1.0

B.A.Somsen, F.W.B.Craenmehr, W.W.Liu, A.A.Koops, M.A.M.Pennings, E.J.Visser, C.Ottmann, P.J.Cossar, L.Brunsveld. Functional Mapping of the 14-3-3 Hub Protein As A Guide to Design 14-3-3 Molecular Glues. Chem Sci V. 13 13122 2022.
ISSN: ISSN 2041-6520
PubMed: 36425501
DOI: 10.1039/D2SC04662H